6-[3-(1-aminoethyl)-4-fluoropyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione

C18H22F2N4O3 — CID 22560170

IUPAC6-[3-(1-aminoethyl)-4-fluoropyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione
SMILESCOc1c(N2CC(F)C(C(C)N)C2)c(F)cn2c(=O)[nH]c(=O)c(C3CC3)c12
InChIInChI=1S/C18H22F2N4O3/c1-8(21)10-5-23(6-11(10)19)14-12(20)7-24-15(16(14)27-2)13(9-3-4-9)17(25)22-18(24)26/h7-11H,3-6,21H2,1-2H3,(H,22,25,26)
InChIKeyZOWUBJGVMVHAFF-UHFFFAOYSA-N
MW380.40 g/mol
LogP1.13
Rot. Bonds4

About 6-[3-(1-aminoethyl)-4-fluoropyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione

6-[3-(1-aminoethyl)-4-fluoropyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione (PubChem CID 22560170) has the molecular formula C18H22F2N4O3 and a molecular weight of 380.40 g/mol. Its IUPAC name is 6-[3-(1-aminoethyl)-4-fluoropyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione.

Molecular Properties

Compound Name6-[3-(1-aminoethyl)-4-fluoropyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione
PubChem CID22560170
Molecular FormulaC18H22F2N4O3
Molecular Weight380.40 g/mol
Exact Mass380.17
IUPAC Name6-[3-(1-aminoethyl)-4-fluoropyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione
SMILESCOc1c(N2CC(F)C(C(C)N)C2)c(F)cn2c(=O)[nH]c(=O)c(C3CC3)c12
InChIInChI=1S/C18H22F2N4O3/c1-8(21)10-5-23(6-11(10)19)14-12(20)7-24-15(16(14)27-2)13(9-3-4-9)17(25)22-18(24)26/h7-11H,3-6,21H2,1-2H3,(H,22,25,26)
InChIKeyZOWUBJGVMVHAFF-UHFFFAOYSA-N
XLogP1.13
TPSA92.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(1-aminoethyl)-4-fluoropyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione?
The IUPAC name of 6-[3-(1-aminoethyl)-4-fluoropyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione (CID 22560170) is 6-[3-(1-aminoethyl)-4-fluoropyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione.
What is the SMILES notation for 6-[3-(1-aminoethyl)-4-fluoropyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione?
The canonical SMILES for 6-[3-(1-aminoethyl)-4-fluoropyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione is COc1c(N2CC(F)C(C(C)N)C2)c(F)cn2c(=O)[nH]c(=O)c(C3CC3)c12.
What is the InChIKey of 6-[3-(1-aminoethyl)-4-fluoropyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione?
The InChIKey is ZOWUBJGVMVHAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N4O3/c1-8(21)10-5-23(6-11(10)19)14-12(20)7-24-15(16(14)27-2)13(9-3-4-9)17(25)22-18(24)26/h7-11H,3-6,21H2,1-2H3,(H,22,25,26).
What are the key properties of 6-[3-(1-aminoethyl)-4-fluoropyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione?
6-[3-(1-aminoethyl)-4-fluoropyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione has a molecular weight of 380.40 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(1-aminoethyl)-4-fluoropyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione is sourced from PubChem (CID 22560170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).